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methyl 1-{[3-(aminocarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}-2,2,2-trifluoro-1-(trifluoromethyl)ethylcarbamate

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methyl 1-{[3-(aminocarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}-2,2,2-trifluoro-1-(trifluoromethyl)ethylcarbamate
SpectraBase Compound ID Ho8Crfg4eej
InChI InChI=1S/C14H15F6N3O3S/c1-26-11(25)23-12(13(15,16)17,14(18,19)20)22-10-8(9(21)24)6-4-2-3-5-7(6)27-10/h22H,2-5H2,1H3,(H2,21,24)(H,23,25)
InChIKey UALMIORZLPLUGU-UHFFFAOYSA-N
Mol Weight 419.34 g/mol
Molecular Formula C14H15F6N3O3S
Exact Mass 419.073832 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3cqVcurbRwz
Name methyl 1-{[3-(aminocarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}-2,2,2-trifluoro-1-(trifluoromethyl)ethylcarbamate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C14H15F6N3O3S/c1-26-11(25)23-12(13(15,16)17,14(18,19)20)22-10-8(9(21)24)6-4-2-3-5-7(6)27-10/h22H,2-5H2,1H3,(H2,21,24)(H,23,25)
InChIKey UALMIORZLPLUGU-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7000_4638
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: NMR/9233265; Labnumber: AU-0000674; IOH_ID: IOH-004639
Temperature 303 °C